UCSF

ZINC02539381

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.07 0.46 -46.08 0 2 -1 40 228.065 3

Vendor Notes

Note Type Comments Provided By
MP 178 - 183 Enamine Building Blocks
Melting_Point 178-180? Alfa-Aesar
Melting_Point 178-180° Alfa-Aesar
MP 178...183 Enamine Building Blocks
MP 179-183 °C(lit.) Indofine
MP 179-183° Oakwood Chemical
MP 180 TCI
Mp [°C] 180 - 182 Acros Organics
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 97% Fluorochem
H phrase H335: May cause respiratory irritation Acros Organics
H phrase H335: May cause respiratory irritation; H315: Causes skin irritation; H332: Harmful if inhaled; H319: Causes serious eye irritation Acros Organics
P phrase P261: Avoid breathing dust/fume/gas/mist/vapors/spray Acros Organics
P phrase P261: Avoid breathing dust/fume/gas/mist/vapors/spray; P304 + P340: IF INHALED: Remove victim to fresh air and keep at rest in a position comfortable for breathing; P302+ P352: IF ON SKIN: Wash with plenty of soap and water; P280: Wear protective gloves/p Acros Organics
R phrase R20: Harmful by inhalation. Acros Organics
R phrase R20: Harmful by inhalation.; R36/37/38: Irritating to eyes, respiratory system and skin. Acros Organics
S phrase S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Acros Organics
S phrase S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S37/39: Wear suitable gloves and eye/face protection. Acros Organics
Hazard XN: Harmful Acros Organics

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )